replica 3 | Dynarepo 6VN0 | MDRepoOmid Mokhtari;Hamed Khakzad;Yasaman Karami;
replica 3NPT
Loading structure.
Parameters
- Length
- 497.7 ns@ 2 fs = 248,850,000 steps
- Frames
- 4,9771 frame every 100 ps
- Ensemble
- NPT
constant number of particles, pressure and temperature
Force fieldCHARMM36mwater model TIP3P Box9.056 x 9.056 x 6.419 nmDodecahedron · 526.48 nm³ Composition- Total system2,304 atoms · 144 residues
- Protein2,304 atoms · 144 residues
- Lipids0 atoms · 0 residues
- Carbohydrates0 atoms · 0 residues
- Solvent0 atoms · 0 residues
Counter-ions- 0Cations (+)
- 0Anions (-)
- 0Total ions